was originally established in October 2007.
The group belongs to MANA, NIMS as well.

The IFCS group is working on theoretical/computational/data-driven AI researches on microscopic mechanisms of energy and environmental issues associated with battery, solar cell and catalyst. We are discussing novel theories/computational methods/data-driven AI techniques for those problems as well as update experimental findings in physics, chemistry and materials science. In particular, we focus on quantitative simulations of electrochemical (redox) phenomena at solid/liquid and solid/solid interfaces on the atomic and electronic scales, and mainly deal with transition metal oxide and semiconductor electrodes as well as water and organic solvents. Characteristics of the IFCS group are as follows:

Cutting-edge computational & informatics researches on microscopic mechanisms in a variety of batteries (Li-ion, Na-ion, Mg-ion & all-solid-state etc.)

Cutting-edge computational researches on electrochemical (redox) reactions at solid/liquid and solid/solid interfaces (electrochemistry, ionics, surface science, semiconductor physics etc.)

Computational researches on catalysts, photocatalysts and solar cells (toward a unified interface science)

Novel theory/computational method/data-driven AI technique for the above issues (Frequent coding of programs)

Deep collaboration with leading experimentalists to understand the underlying physics/chemistry.

Solving really important problems and competing with the leading researchers in the world (Many foreign guests and collaborators)

English language for all group activities (international environment)

Fostering young post-doc and ph.D students (for their good research careers in the future)

▶2022.12.06 Dr. Tateyama and Jang gave the oral talks in the 48th meeting of Solid State Ionics Japan.
▶2022.12.05 Dr. Yamaji and his collaborators organized The 13th TOYOTA RIKEN International Workshop: Integrated Spectroscopy for Strong Electron Correlation - Theory, Computation and Experiment at Koshiba Hall, The Univ. of Tokyo, Japan
▶2022.11.08 Dr. Tateyama, Jang, Koizumi and Mr. Sasaki, Z. Zhou gave oral talks in the 63rd battery symposium in Japan.
▶2022.11.01 Dr. Ishikawa gave an invited talk in The 23rd Asian Workshop on First-Principles Electronic Structure Calculations.
▶2022.10.01 MEXT Material DX project "DX-GEM @ The Univ. of Tokyo" and JST-CREST Exploring Unknown Materials "Development of Molecular-Crystal Solid-State Batteries" started, where Dr. Tateyama plays group leader roles.
▶2022.10.01 Mr. Qianli Si and Mr. Haruyuki Oda joined the IFCS group as ph. D students (D1) in Waseda U. Tateyama-Momma Gr. Welcome!
▶2022.09.16 Jang's paper (Fugaku BFC and ESICB) was published in Adv. Funct. Mater.
▶2022.09.05 Mr. Dan Ito [M2 in Yamagata U.] joined the IFCS group as a 3-months internship student.
▶2022.08.22 Dr. Tateyama and Dr. Ishikawa gave oral talks, and Dr. Jang, Dr. Luong, Mr. Zhou [D1 in Waseda U. Tateyama-Momma Gr.] gave poster presentations in the Psi-K 2022 conference in EPFL, Lausanne, Switzerland.
▶2022.08.05 Mr. Zhou's paper [D1 in Waseda U. Tateyama-Momma Gr.] (Fguaku BFC) was published in ACS Appl. Mater. Interfaces.
▶2022.07.22 Ishikawa's collaboration paper with Prof. Otomo [TITech] and Mr. Murase was published in ACS Omega.
▶2022.07.11 Mr. Sasaki [D3 in TITech Tateyama-Hitosugi Gr.] started 1.5 months stay in Prof. Debra Bernhardt group in The Univ. of Queensland, Brisbane, Australia, for a method development (Back to NIMS on 08.30).
▶2022.04.08 Gao's paper (Fugaku BFC & Interface IONICS) was published in J. Mater. Chem. A.
▶2022.03.31 Dr. Bo Gao, a post-doc, won a NIMS President Prize "for Young Scientists". It's the first time that standard post-doc receives this prize.
▶2022.01.01 Dr. Randy Jalem started 1 year oversea research in Prof. Shyue Ping Ong group in UCSD, San Diego, CA, USA.
▶2021.12.08 Gao's paper (Fugaku BFC & Interface IONICS) was published in Adv. Energy Mater.
▶2021.12.01 Jalem's paper (ESICB & Interface IONICS) was published in J. Mater. Chem. A.
▶2021.11.26 Collaboration paper with Dr. Kawai [NIMS] was published in Angew. Chem. Int. Ed.
▶2021.11.18 Collaboration paper with Prof. Azuma [TITech] was published in Chem. Mater.
▶2021.11.09 Yamaji's paper (Fugaku Qunatum Mater) was published in Phys. Rev. Research, and NIMS delivered a press release.
▶2021.09.06 Collaboration paper with Dr. Kim [RIKEN] & Prof. Einaga [Keio] (JST-ACCEL) was published in Adv. Mater.
▶2021.06.23 Theoretical paper by Mr. Sasaki [Ph. D student in TITech Hitosugi-Tateyama Gr.] was published in J. Mater. Chem. A.
▶2021.05.24 Jalem's joint research paper in JST-ALCA and Fugaku Battery Project about Solid Electrolyte Prediction by Machine Learning was published in Chem. Mater.
▶2021.05.21 Tian's paper (JST-ALCA & Interface IONICS) was published in J. Mater. Chem. A.
▶2021.04.09 Youn's paper (ESICB & Fugaku BFC) was published in a Nature partner journal, npj Comput. Mater.
▶2021.04.01 Dr. Randy Jalem, a senior researcher, won a NIMS President Prize "for Young Scientists".
▶2021.04.01 Dr. Youhei Yamaji joined the IFCS group as a senior researcher.
▶2021.03.05 Gao's paper (Interface IONICS & Fugaku BFC) was published in ACS Appl. Mater. Interfaces.
▶2021.02.25 Ishikawa's paper (JST-PRESTO) was published in ACS Catal. and JST-PRESTO delivered a press release.
▶2021.02.15 Collaboration paper with Prof. Yamaguchi & Prof. Kamata [TITech] (JST-PRESTO) was published in ACS Appl. Energy Mater. and TITech delivered a press release.
▶2020.12.09 Collaboration paper with Prof. Komaba & Prof. Kubota [TUS/ESICB] was published in Angew. Chem. Int. Ed.